Information card for entry 7045461

Structure parameters

• Formula: C40 H40.5 F12 N6 O0.25 P2 Ru
• Calculated formula: C40 H40 F12 N6 O0.25 P2 Ru
• Title of publication: Synthesis, isomerisation and biological properties of mononuclear ruthenium complexes containing the bis[4(4'-methyl-2,2'-bipyridyl)]-1,7-heptane ligand.
• Authors of publication: Sun, Biyun; Southam, Hannah M.; Butler, Jonathan A.; Poole, Robert K.; Burgun, Alexandre; Tarzia, Andrew; Keene, F. Richard; Collins, J. Grant
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 7
• Pages of publication: 2422 - 2434
• a: 10.782 ± 0.002 Å
• b: 28.514 ± 0.006 Å
• c: 13.176 ± 0.003 Å
• α: 90°
• β: 96.63 ± 0.03°
• γ: 90°
• Cell volume: 4023.7 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No